tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

C29H40BN5O3Si — CID 140798299

IUPACtert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
SMILESCn1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3c2cnn3-c2cccc(CO[Si](C)(C)C(C)(C)C)n2)n1
InChIInChI=1S/C29H40BN5O3Si/c1-27(2,3)39(9,10)36-19-21-12-11-13-26(32-21)35-25-17-20(30-37-28(4,5)29(6,7)38-30)16-22(23(25)18-31-35)24-14-15-34(8)33-24/h11-18H,19H2,1-10H3
InChIKeyRUIUBHYKKHISGG-UHFFFAOYSA-N
MW545.57 g/mol
LogP5.64
Rot. Bonds6

About tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (PubChem CID 140798299) has the molecular formula C29H40BN5O3Si and a molecular weight of 545.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
PubChem CID140798299
Molecular FormulaC29H40BN5O3Si
Molecular Weight545.57 g/mol
Exact Mass545.30
IUPAC Nametert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
SMILESCn1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3c2cnn3-c2cccc(CO[Si](C)(C)C(C)(C)C)n2)n1
InChIInChI=1S/C29H40BN5O3Si/c1-27(2,3)39(9,10)36-19-21-12-11-13-26(32-21)35-25-17-20(30-37-28(4,5)29(6,7)38-30)16-22(23(25)18-31-35)24-14-15-34(8)33-24/h11-18H,19H2,1-10H3
InChIKeyRUIUBHYKKHISGG-UHFFFAOYSA-N
XLogP5.64
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.57
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (CID 140798299) is tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is Cn1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3c2cnn3-c2cccc(CO[Si](C)(C)C(C)(C)C)n2)n1.
What is the InChIKey of tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
The InChIKey is RUIUBHYKKHISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40BN5O3Si/c1-27(2,3)39(9,10)36-19-21-12-11-13-26(32-21)35-25-17-20(30-37-28(4,5)29(6,7)38-30)16-22(23(25)18-31-35)24-14-15-34(8)33-24/h11-18H,19H2,1-10H3.
What are the key properties of tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?
tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane has a molecular weight of 545.57 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[6-[4-(1-methylpyrazol-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is sourced from PubChem (CID 140798299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).